2-N-benzyl-3-cyclopentyl-2-N-methoxybenzene-1,2-dicarboxamide

C21H24N2O3 — CID 87690599

IUPAC2-N-benzyl-3-cyclopentyl-2-N-methoxybenzene-1,2-dicarboxamide
SMILESCON(Cc1ccccc1)C(=O)c1c(C(N)=O)cccc1C1CCCC1
InChIInChI=1S/C21H24N2O3/c1-26-23(14-15-8-3-2-4-9-15)21(25)19-17(16-10-5-6-11-16)12-7-13-18(19)20(22)24/h2-4,7-9,12-13,16H,5-6,10-11,14H2,1H3,(H2,22,24)
InChIKeyXIMZANTYJGXKHX-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.65
Rot. Bonds6

About 2-N-benzyl-3-cyclopentyl-2-N-methoxybenzene-1,2-dicarboxamide

2-N-benzyl-3-cyclopentyl-2-N-methoxybenzene-1,2-dicarboxamide (PubChem CID 87690599) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-N-benzyl-3-cyclopentyl-2-N-methoxybenzene-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-benzyl-3-cyclopentyl-2-N-methoxybenzene-1,2-dicarboxamide
PubChem CID87690599
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name2-N-benzyl-3-cyclopentyl-2-N-methoxybenzene-1,2-dicarboxamide
SMILESCON(Cc1ccccc1)C(=O)c1c(C(N)=O)cccc1C1CCCC1
InChIInChI=1S/C21H24N2O3/c1-26-23(14-15-8-3-2-4-9-15)21(25)19-17(16-10-5-6-11-16)12-7-13-18(19)20(22)24/h2-4,7-9,12-13,16H,5-6,10-11,14H2,1H3,(H2,22,24)
InChIKeyXIMZANTYJGXKHX-UHFFFAOYSA-N
XLogP3.65
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-N-benzyl-3-cyclopentyl-2-N-methoxybenzene-1,2-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N,N',N'-Tetraethylphthalamide
CID 66526
Pyrrolidine, 1-(o-benzoylbenzoyl)-
CID 208220
3-methyl-N-(2-phenylethyl)benzamide
CID 723531
3-N-hydroxy-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 71680913
[1-(4-Methylbenzoyl)piperidin-4-yl]-(2,4,6-trimethylphenyl)methanone
CID 2741902
N-benzyl-N,2-dimethylbenzamide
CID 779170
2-methyl-N-(2-methylbenzyl)benzamide
CID 881366
2-methyl-N-(3-phenylpropyl)benzamide
CID 2186870
2-Cyclohexyl-3-oxoisoindoline-4-carboxamide
CID 5309879
N-methoxy-N-methylnaphthalene-1-carboxamide
CID 22892021
2-methyl-N-(2-phenylethyl)benzamide
CID 668773
Dibenzo(i,t)(1,4,7,12,15,18)hexaazacyclodocosine-5,13,18,26(6H,19H)-tetrone, 7,8,9,10,11,12,20,21,22,23,24,25-dodecahydro-
CID 106343

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-3-cyclopentyl-2-N-methoxybenzene-1,2-dicarboxamide?
The IUPAC name of 2-N-benzyl-3-cyclopentyl-2-N-methoxybenzene-1,2-dicarboxamide (CID 87690599) is 2-N-benzyl-3-cyclopentyl-2-N-methoxybenzene-1,2-dicarboxamide.
What is the SMILES notation for 2-N-benzyl-3-cyclopentyl-2-N-methoxybenzene-1,2-dicarboxamide?
The canonical SMILES for 2-N-benzyl-3-cyclopentyl-2-N-methoxybenzene-1,2-dicarboxamide is CON(Cc1ccccc1)C(=O)c1c(C(N)=O)cccc1C1CCCC1.
What is the InChIKey of 2-N-benzyl-3-cyclopentyl-2-N-methoxybenzene-1,2-dicarboxamide?
The InChIKey is XIMZANTYJGXKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-26-23(14-15-8-3-2-4-9-15)21(25)19-17(16-10-5-6-11-16)12-7-13-18(19)20(22)24/h2-4,7-9,12-13,16H,5-6,10-11,14H2,1H3,(H2,22,24).
What are the key properties of 2-N-benzyl-3-cyclopentyl-2-N-methoxybenzene-1,2-dicarboxamide?
2-N-benzyl-3-cyclopentyl-2-N-methoxybenzene-1,2-dicarboxamide has a molecular weight of 352.43 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-3-cyclopentyl-2-N-methoxybenzene-1,2-dicarboxamide is sourced from PubChem (CID 87690599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).